The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design.

The Halogen Bond

I. Introduction. Background. Focus of the review. Review procedure and results. The NEA-TDB data base system. Presentation of the selected data. II. Standards and Conventions. Symbols, terminology and nomenclature. Units and conversion factors. Standard and reference conditions. Fundamental physical constants. III. Selected Uranium Data. IV. Selected Auxiliary Data. V. Discussion of Data Selection. Elemental uranium. Aqua ions. Oxide, hydride and hydroxide species. VI. Discussion of Auxiliary Data Selection. Reference list. Authors list. Formula list. Discussion of selected references. Ionic strength corrections. Assigned uncertainties. The estimation of entropies.

Chemical thermodynamics of uranium

Halogen Bonding in Supramolecular Chemistry.

Graphene films grown on Cu foils have been fluorinated with xenon difluoride (XeF2) gas on one or both sides. When exposed on one side the F coverage saturates at 25% (C4F), which is optically transparent, over 6 orders of magnitude more resistive than graphene, and readily patterned. Density functional calculations for varying coverages indicate that a C4F configuration is lowest in energy and that the calculated band gap increases with increasing coverage, becoming 2.93 eV for one C4F configuration. During defluorination, we find hydrazine treatment effectively removes fluorine while retaining graphene’s carbon skeleton. The same films may be fluorinated on both sides by transferring graphene to a silicon-on-insulator substrate enabling XeF2 gas to etch the Si underlayer and fluorinate the backside of the graphene film to form perfluorographane (CF) for which calculated the band gap is 3.07 eV. Our results indicate single-side fluorination provides the necessary electronic and optical changes to be prac...

Properties of Fluorinated Graphene Films

Kraitchman has shown that a single isotopic substitution on an atom is sufficient to determine directly the coordinates of that atom with respect to the principal axes of the original molecule. Kraitchman's formulas represent exact solutions of the equations for the equilibrium moments of inertia. However, the effects of the zero‐point vibrations are such that the coordinates obtained by substitution from the ground state moments of inertia I0 are systematically less than r0. These coordinates have here been called r (substitution) or rs, and it is found that rs≃(r0+re)/2, and Is= ∑ imirsi2≃(I0+Ie)/2.In the usual method of solution, the coordinate of one atom is determined from the equation for I0, and therefore the difference I0—Is must be made up by this one coordinate. This introduces a large error in the structures normally determined from ground state constants, and results in variations of 0.01 A in structures determined from different sets of isotopic species. If instead, we obtain the structure on...

A new criterion for the determination of molecular structures from ground state rotational constants

Raman spectra of MoF6, TcF6, ReF6, UF6, SF6, SeF6, and TeF6 have been observed for the gaseous state using laser excitation Some assignments of fundamental frequencies have had to be revised from previously accepted values The overtone 2ν6 was observed for all these gaseous hexafluorides and several other overtones were observed for some of the molecules Considerable broadening of the eg and f2g fundamentals was observed for TcF6 and for ReF6 This broadening is attributed to dynamic Jahn–Teller coupling The best currently available measured values of fundamental frequencies for all 15 hexafluoride molecules of known Oh symmetry are tabulated

Raman Spectra of MoF6, TcF6, ReF6, UF6, SF6, SeF6, and TeF6 in the Vapor State

Fluorination of solid C60 with fluorine gas proceeds in a stepwise manner to give, after twelve days (10 mg scale), a colourless derivative indicated by a single line 19F NMR spectrum to be C60F60; reaction time is quantity dependent.

Fluorination of buckminsterfullerene

Publisher Summary This chapter discusses recent advances in noble-gas chemistry. The chemistry of xenon originates from the reactions of the binary fluorides and falls into five main categories: (1) reactions in which the xenon fluoride acts as a fluorinating agent, (2) hydrolysis reactions yielding oxide fluorides, oxides, and oxygencontaining salts, (3) fluoride/anion metathesis reactions between the fluoride and an anhydrous acid, (4) reactions with fluoride ion acceptors, yielding fluorocations, and (5) reactions with fluoride ion donors, yielding fluoroanions. In general, the component molecules of all of the cationic/anionic complexes are linked together by fluorine bridges, which have a considerable degree of ionic character. However, Raman spectra of the complexes derived from the metal oxide tetrafluorides indicate that they are best formulated as essentially covalent structures. As in the case of xenon, one of the most interesting developments in krypton chemistry is the identification of bonds between noble-gas atoms and elements other than fluorine.

John H. Holloway

Papers

Raman Spectra of MoF6, TcF6, ReF6, UF6, SF6, SeF6, and TeF6 in the Vapor State

Fluorination of buckminsterfullerene

Recent Advances in Noble-Gas Chemistry

Xenon-129 pulse Fourier-transform nuclear magnetic resonance spectroscopy

No lubricants from fluorinated C 60